1-oxa-4-azaspiro[5.5]undecan-3-one

C9H15NO2 — CID 58300123

IUPAC1-oxa-4-azaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCCCC2)CN1
InChIInChI=1S/C9H15NO2/c11-8-6-12-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
InChIKeyQRLVARFDMXEYNG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds

About 1-oxa-4-azaspiro[5.5]undecan-3-one

1-oxa-4-azaspiro[5.5]undecan-3-one (PubChem CID 58300123) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-oxa-4-azaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name1-oxa-4-azaspiro[5.5]undecan-3-one
PubChem CID58300123
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-oxa-4-azaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCCCC2)CN1
InChIInChI=1S/C9H15NO2/c11-8-6-12-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
InChIKeyQRLVARFDMXEYNG-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-azaspiro[5.5]undecan-3-one?
The IUPAC name of 1-oxa-4-azaspiro[5.5]undecan-3-one (CID 58300123) is 1-oxa-4-azaspiro[5.5]undecan-3-one.
What is the SMILES notation for 1-oxa-4-azaspiro[5.5]undecan-3-one?
The canonical SMILES for 1-oxa-4-azaspiro[5.5]undecan-3-one is O=C1COC2(CCCCC2)CN1.
What is the InChIKey of 1-oxa-4-azaspiro[5.5]undecan-3-one?
The InChIKey is QRLVARFDMXEYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-8-6-12-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11).
What are the key properties of 1-oxa-4-azaspiro[5.5]undecan-3-one?
1-oxa-4-azaspiro[5.5]undecan-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-azaspiro[5.5]undecan-3-one is sourced from PubChem (CID 58300123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).